(4E)-4-[1-(3-chlorophenyl)-3-ethyl-5-oxidanylidene-pyrazol-4-ylidene]-5-oxidanylidene-1-(phenylmethyl)-3-pyridin-1-ium-1-yl-pyrrol-2-olate

Systemtic Name: (4E)-4-[1-(3-chlorophenyl)-3-ethyl-5-oxidanylidene-pyrazol-4-ylidene]-5-oxidanylidene-1-(phenylmethyl)-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: (4E)-1-benzyl-4-[1-(3-chlorophenyl)-3-ethyl-5-oxo-pyrazol-4-ylidene]-5-oxo-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: (4E)-4-[1-(3-chlorophenyl)-3-ethyl-5-oxo-4-pyrazolylidene]-5-oxo-1-(phenylmethyl)-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: (4E)-1-benzyl-4-[1-(3-chlorophenyl)-3-ethyl-5-oxopyrazol-4-ylidene]-5-oxo-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: (4E)-1-benzyl-4-[1-(3-chlorophenyl)-3-ethyl-5-keto-2-pyrazolin-4-ylidene]-5-keto-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C27H21ClN4O3 MolecularWeight: 484.93364

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)C1=C2C(=C(N(C2=O)CC3=CC=CC=C3)[O-])[N+]4=CC=CC=C4)C5=CC(=CC=C5)Cl

Isomeric SMILES

CCC\1=NN(C(=O)/C1=C/2\C(=C(N(C2=O)CC3=CC=CC=C3)[O-])[N+]4=CC=CC=C4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C27H21ClN4O3/c1-2-21-22(26(34)32(29-21)20-13-9-12-19(28)16-20)23-24(30-14-7-4-8-15-30)27(35)31(25(23)33)17-18-10-5-3-6-11-18/h3-16H,2,17H2,1H3